General Information of the Compound
| Compound ID |
CP0483338
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| Compound Name |
US9346829, 31
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
CCN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12
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| InChI |
InChI=1S/C22H27N5O2/c1-3-26-16-8-15(9-17(26)14-29-13-16)24-22(28)20-12-27(18-10-23-25(2)11-18)21-7-5-4-6-19(20)21/h4-7,10-12,15-17H,3,8-9,13-14H2,1-2H3,(H,24,28)/t15-,16-,17+
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| InChIKey |
GHDXJBSYXLPSDD-OSYLJGHBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound